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80944-98-5 | 2-Furancarboxylic acid, 2,3,4,5-tetrachlorotetrahydro-, butyl ester
CAS No: 80944-98-5 Catalog No: AG005HV7 MDL No:
Product Description
Catalog Number:
AG005HV7
Chemical Name:
2-Furancarboxylic acid, 2,3,4,5-tetrachlorotetrahydro-, butyl ester
CAS Number:
80944-98-5
Molecular Formula:
C9H12Cl4O3
Molecular Weight:
310.0018
IUPAC Name:
butyl 2,3,4,5-tetrachlorooxolane-2-carboxylate
InChI:
InChI=1S/C9H12Cl4O3/c1-2-3-4-15-8(14)9(13)6(11)5(10)7(12)16-9/h5-7H,2-4H2,1H3
InChI Key:
VPFHSBSICUITTM-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C1(Cl)OC(C(C1Cl)Cl)Cl
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.992g/mol
Monoisotopic Mass:
307.954g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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